SCHEMBL8299228

SCHEMBL8299228

CC(C)c1ccc(NC(CO)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ UTS2R Q9UKP6 2/20 0.42
▸ PDE2A O00408 2/20 0.41
▸ TRPV3 Q8NET8 2/20 0.39
▸ GCGR P47871 1/20 0.39
▸ PANK3 Q9H999 1/20 0.38
▸ P2RX3 P56373 1/20 0.38
▸ PTPN5 P54829 1/20 0.38
▸ KIF11 P52732 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ EEF2K O00418 1/20 0.37
▸ CDK1 P06493 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5782709 0.85 UTS2R (0.40) UTS2RPDE2ATRPV3PANK3PTPN5
SCHEMBL2859953 0.81 UTS2R (0.37) CA12CA1MMP2UTS2RPDE2A
SCHEMBL84043 0.76 PDE2A (0.53) PDE2APTPN5KIF11
SCHEMBL1259754 0.74 TRPV3 (0.48) CA12CA1MMP2TRPV3KIF11
Ammonia Solution, Strong SCHEMBL27642816 0.74 PDE2A (0.52) PDE2APTPN5KIF11
SCHEMBL2644697 0.73 RCE1 (0.38) CA12MMP2UTS2REEF2K
SCHEMBL27634082 0.72 UTS2R (0.40) UTS2RPDE2AGCGRPANK3KIF11
SCHEMBL4779882 0.72 TRPV3 (0.45) PDE2ATRPV3P2RX3
SCHEMBL855311 0.72 FFAR1 (0.55) MAPT
SCHEMBL5424944 0.71 CCNT1 (0.50) CA12CA1MMP2TRPV3KIF11

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005013985-A1 TREATMENT FOR ALZHEIMER'S DISEASE AND RELATED CONDITIONS MERCK SHARP & DOHME LIMITED (GB) 2005-02-17 — — WO disclosed
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